N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine

C15H24N4O2 — CID 133340478

IUPACN-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
SMILESCCN1CCC(CCNc2cc(C)c([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-18-8-5-13(6-9-18)4-7-16-15-10-12(2)14(11-17-15)19(20)21/h10-11,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyCWLIVJBKNKDDBU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine

N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 133340478) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
PubChem CID133340478
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
SMILESCCN1CCC(CCNc2cc(C)c([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-18-8-5-13(6-9-18)4-7-16-15-10-12(2)14(11-17-15)19(20)21/h10-11,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyCWLIVJBKNKDDBU-UHFFFAOYSA-N
XLogP2.83
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83266650
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine
CID 79173443
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133342954
4-methyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-2-amine
CID 133486685
4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 79176343
2-[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133329211
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133339472
N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine
CID 83268812
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339346
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 79173963
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine (CID 133340478) is N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine is CCN1CCC(CCNc2cc(C)c([N+](=O)[O-])cn2)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is CWLIVJBKNKDDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-18-8-5-13(6-9-18)4-7-16-15-10-12(2)14(11-17-15)19(20)21/h10-11,13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine?
N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133340478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).